6-N,17-N-diphenyl-6-N,17-N-bis(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine

C50H42N2 — CID 166032069

About 6-N,17-N-diphenyl-6-N,17-N-bis(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine

6-N,17-N-diphenyl-6-N,17-N-bis(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine (PubChem CID 166032069) has the molecular formula C50H42N2 and a molecular weight of 670.90 g/mol. Its IUPAC name is 6-N,17-N-diphenyl-6-N,17-N-bis(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine.

Molecular Properties

• Compound Name: 6-N,17-N-diphenyl-6-N,17-N-bis(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
• PubChem CID: 166032069
• Molecular Formula: C50H42N2
• Molecular Weight: 670.90 g/mol
• Exact Mass: 670.33
• IUPAC Name: 6-N,17-N-diphenyl-6-N,17-N-bis(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
• SMILES: CC(C)c1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)-c2cc3cc(N(c5ccccc5)c5cccc(C(C)C)c5)ccc3cc2-4)c1
• InChI: InChI=1S/C50H42N2/c1-33(2)35-13-11-19-43(25-35)51(41-15-7-5-8-16-41)45-23-21-37-29-47-48-30-38-22-24-46(28-40(38)32-50(48)49(47)31-39(37)27-45)52(42-17-9-6-10-18-42)44-20-12-14-36(26-44)34(3)4/h5-34H,1-4H3
• InChIKey: CNTAGWQLHZXZET-UHFFFAOYSA-N
• XLogP: 14.83
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.90
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 6-N,17-N-diphenyl-6-N,17-N-bis(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine?

The IUPAC name of 6-N,17-N-diphenyl-6-N,17-N-bis(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine (CID 166032069) is 6-N,17-N-diphenyl-6-N,17-N-bis(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine.

What is the SMILES notation for 6-N,17-N-diphenyl-6-N,17-N-bis(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine?

The canonical SMILES for 6-N,17-N-diphenyl-6-N,17-N-bis(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine is CC(C)c1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)-c2cc3cc(N(c5ccccc5)c5cccc(C(C)C)c5)ccc3cc2-4)c1.

What is the InChIKey of 6-N,17-N-diphenyl-6-N,17-N-bis(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine?

The InChIKey is CNTAGWQLHZXZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N2/c1-33(2)35-13-11-19-43(25-35)51(41-15-7-5-8-16-41)45-23-21-37-29-47-48-30-38-22-24-46(28-40(38)32-50(48)49(47)31-39(37)27-45)52(42-17-9-6-10-18-42)44-20-12-14-36(26-44)34(3)4/h5-34H,1-4H3.

What are the key properties of 6-N,17-N-diphenyl-6-N,17-N-bis(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine?

6-N,17-N-diphenyl-6-N,17-N-bis(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine has a molecular weight of 670.90 g/mol, XLogP of 14.83, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N,17-N-diphenyl-6-N,17-N-bis(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine is sourced from PubChem (CID 166032069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).